6-(4-cyclopropylcarbonylphenyl)-2-(2-pyrrolidin-1-ylethyl)-3,4-dihydroisoquinolin-1-one

Systemtic Name: 6-(4-cyclopropylcarbonylphenyl)-2-(2-pyrrolidin-1-ylethyl)-3,4-dihydroisoquinolin-1-one Openeye Name: 6-[4-(cyclopropanecarbonyl)phenyl]-2-(2-pyrrolidin-1-ylethyl)-3,4-dihydroisoquinolin-1-one CAS Name: 6-[4-[cyclopropyl(oxo)methyl]phenyl]-2-[2-(1-pyrrolidinyl)ethyl]-3,4-dihydroisoquinolin-1-one IUPAC Name: 6-[4-(cyclopropanecarbonyl)phenyl]-2-(2-pyrrolidin-1-ylethyl)-3,4-dihydroisoquinolin-1-one Traditional Name: 6-[4-(cyclopropanecarbonyl)phenyl]-2-(2-pyrrolidinoethyl)-3,4-dihydroisocarbostyril Formula: C25H28N2O2 MolecularWeight: 388.50202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCN2CCC3=C(C2=O)C=CC(=C3)C4=CC=C(C=C4)C(=O)C5CC5

Isomeric SMILES

C1CCN(C1)CCN2CCC3=C(C2=O)C=CC(=C3)C4=CC=C(C=C4)C(=O)C5CC5

InChI

InChI=1S/C25H28N2O2/c28-24(20-7-8-20)19-5-3-18(4-6-19)21-9-10-23-22(17-21)11-14-27(25(23)29)16-15-26-12-1-2-13-26/h3-6,9-10,17,20H,1-2,7-8,11-16H2